SCHEMBL6233378

SCHEMBL6233378

COc1cc(OCc2c(F)cccc2F)cc(OC)c1CNCCc1ncc(C)s1

nearest known ligand 0.43

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CD274 Q9NZQ7 19/20 0.43
KDM4E B2RXH2 1/20 0.40
MEN1 O00255 1/20 0.40
ALDH1A1 P00352 1/20 0.40
KMT2A Q03164 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
PDCD1 Q15116 1/20 0.39

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL6236777 0.93 SMN1; SMN2 (0.46) CD274KDM4EMEN1ALDH1A1KMT2A
SCHEMBL6233515 0.86 BCHE (0.41) CD274KDM4EMEN1KMT2ATDP1
SCHEMBL6233779 0.86 CD274 (0.49) CD274KDM4EMEN1ALDH1A1KMT2A
SCHEMBL6236888 0.84 SMN1; SMN2 (0.55) KDM4EMEN1KMT2ATDP1
SCHEMBL6235445 0.84 SMN1; SMN2 (0.44) CD274MEN1ALDH1A1KMT2ATDP1
SCHEMBL6235523 0.82 SMN1; SMN2 (0.43) CD274MEN1KMT2APDCD1
SCHEMBL6231278 0.79 PTPRZ1 (0.41) CD274MEN1KMT2A
SCHEMBL6233373 0.78 CD274 (0.42) CD274PDCD1
SCHEMBL6231785 0.78 SMN1; SMN2 (0.39) KDM4EMEN1ALDH1A1KMT2A
SCHEMBL6233374 0.75 SMN1; SMN2 (0.53) CD274KDM4EMEN1ALDH1A1KMT2A

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2005000309-A2 CHEMICAL COMPOUNDS IONIX PHARMACEUTICALS LIMITED (GB) 2005-01-06 WO disclosed